N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine

C17H20FNS — CID 79441057

IUPACN-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine
SMILESFc1cccc(C(CCc2ccsc2)CNC2CC2)c1
InChIInChI=1S/C17H20FNS/c18-16-3-1-2-14(10-16)15(11-19-17-6-7-17)5-4-13-8-9-20-12-13/h1-3,8-10,12,15,17,19H,4-7,11H2
InChIKeyCSHHIMOGRXNYML-UHFFFAOYSA-N
MW289.42 g/mol
LogP4.36
Rot. Bonds7

About N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine

N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine (PubChem CID 79441057) has the molecular formula C17H20FNS and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine
PubChem CID79441057
Molecular FormulaC17H20FNS
Molecular Weight289.42 g/mol
Exact Mass289.13
IUPAC NameN-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine
SMILESFc1cccc(C(CCc2ccsc2)CNC2CC2)c1
InChIInChI=1S/C17H20FNS/c18-16-3-1-2-14(10-16)15(11-19-17-6-7-17)5-4-13-8-9-20-12-13/h1-3,8-10,12,15,17,19H,4-7,11H2
InChIKeyCSHHIMOGRXNYML-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-4-thiophen-3-ylbutan-1-ol
CID 79443461
N-[2-(3-chlorophenyl)-3-thiophen-3-ylpropyl]cyclopropanamine
CID 79442652
N-[2-(3-fluorophenyl)nonyl]cyclopropanamine
CID 79440903
N-(2-cyclopentyl-4-thiophen-3-ylbutyl)cyclopropanamine
CID 112570068
N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79432897
N-[2-(3-fluorophenyl)-4-methylheptyl]cyclopropanamine
CID 79440904
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 117242573
N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79440980
N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79440371
2-(3-methylphenyl)-N-(2-methylpropyl)-4-thiophen-3-ylbutan-1-amine
CID 79431817
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 112644215
1-(3-fluorophenyl)-2-thiophen-3-ylethanol
CID 62607958

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine (CID 79441057) is N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine is Fc1cccc(C(CCc2ccsc2)CNC2CC2)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine?
The InChIKey is CSHHIMOGRXNYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNS/c18-16-3-1-2-14(10-16)15(11-19-17-6-7-17)5-4-13-8-9-20-12-13/h1-3,8-10,12,15,17,19H,4-7,11H2.
What are the key properties of N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine?
N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine has a molecular weight of 289.42 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-4-thiophen-3-ylbutyl]cyclopropanamine is sourced from PubChem (CID 79441057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).